1-(3,5-dimethoxypyrazin-2-yl)-3-ethylpentane-1,2-diol

C13H22N2O4 — CID 103459914

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-3-ethylpentane-1,2-diol
SMILESCCC(CC)C(O)C(O)c1ncc(OC)nc1OC
InChIInChI=1S/C13H22N2O4/c1-5-8(6-2)11(16)12(17)10-13(19-4)15-9(18-3)7-14-10/h7-8,11-12,16-17H,5-6H2,1-4H3
InChIKeyHJRVZPGYGUVUPS-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.32
Rot. Bonds7

About 1-(3,5-dimethoxypyrazin-2-yl)-3-ethylpentane-1,2-diol

1-(3,5-dimethoxypyrazin-2-yl)-3-ethylpentane-1,2-diol (PubChem CID 103459914) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-3-ethylpentane-1,2-diol.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-3-ethylpentane-1,2-diol
PubChem CID103459914
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-3-ethylpentane-1,2-diol
SMILESCCC(CC)C(O)C(O)c1ncc(OC)nc1OC
InChIInChI=1S/C13H22N2O4/c1-5-8(6-2)11(16)12(17)10-13(19-4)15-9(18-3)7-14-10/h7-8,11-12,16-17H,5-6H2,1-4H3
InChIKeyHJRVZPGYGUVUPS-UHFFFAOYSA-N
XLogP1.32
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxypropan-1-ol
CID 113404113
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol
CID 116711920
1-(3,5-dimethoxypyrazin-2-yl)-2,3,3-trimethylbutan-1-ol
CID 114270663
2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol
CID 115830716
(3,5-dimethoxypyrazin-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol
CID 107502705
(3,5-dimethoxypyrazin-2-yl)-(4-propylthiadiazol-5-yl)methanol
CID 105123476
(3,5-dimethoxypyrazin-2-yl)-(1-methyltriazol-4-yl)methanol
CID 112735965
(3,5-dimethoxypyrazin-2-yl)-(1,3-thiazol-4-yl)methanol
CID 113404120
1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine
CID 103517039
1-(3,5-dimethoxypyrazin-2-yl)-2-methylpropan-1-amine
CID 105031303
(3-bromofuran-2-yl)-(3,5-dimethoxypyrazin-2-yl)methanol
CID 106886347
(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methanol
CID 107978634

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-3-ethylpentane-1,2-diol?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-3-ethylpentane-1,2-diol (CID 103459914) is 1-(3,5-dimethoxypyrazin-2-yl)-3-ethylpentane-1,2-diol.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-3-ethylpentane-1,2-diol?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-3-ethylpentane-1,2-diol is CCC(CC)C(O)C(O)c1ncc(OC)nc1OC.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-3-ethylpentane-1,2-diol?
The InChIKey is HJRVZPGYGUVUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-5-8(6-2)11(16)12(17)10-13(19-4)15-9(18-3)7-14-10/h7-8,11-12,16-17H,5-6H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-3-ethylpentane-1,2-diol?
1-(3,5-dimethoxypyrazin-2-yl)-3-ethylpentane-1,2-diol has a molecular weight of 270.33 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxypyrazin-2-yl)-3-ethylpentane-1,2-diol is sourced from PubChem (CID 103459914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).